Geometry & MOs

Info

ID:	227697
PubChem CID:	87562251
Reduced:	ClN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	389.137556
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	6.21
IP(EA), eV:	-9.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(2-methoxyethoxy)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NC(=C1OC(=O)N)CO)Cl

DOS

IR

Vibrations